7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-(3-methylbutylamino)purine-2,6-dione

Systemtic Name: 7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-(3-methylbutylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(isopentylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(3-methylbutylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(3-methylbutylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(isoamylamino)-1,3-dimethyl-xanthine Formula: C22H31N5O5 MolecularWeight: 445.51204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC2=C(N1CC(COC3=CC=C(C=C3)OC)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CCNC1=NC2=C(N1C[C@H](COC3=CC=C(C=C3)OC)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C22H31N5O5/c1-14(2)10-11-23-21-24-19-18(20(29)26(4)22(30)25(19)3)27(21)12-15(28)13-32-17-8-6-16(31-5)7-9-17/h6-9,14-15,28H,10-13H2,1-5H3,(H,23,24)/t15-/m1/s1